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ENAMINE-ZINC03512351

 MMsINC code: MMs01483801
Type: Neutral
Formula: C19H14ClNO3
SMILES:   Clc1ccc(cc1)C(OCC(=O)Nc1cc2c(cc1)cccc2)=O
InChI:   InChI=1/C19H14ClNO3/c20-16-8-5-14(6-9-16)19(23)24-12-18(22)21-17-10-7-13-3-1-2-4-15(13)11-17/h1-11H,12H2,(H,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.778 g/mol  logS: -6.37521  SlogP: 4.2887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148645  Sterimol/B1: 2.52112  Sterimol/B2: 3.36714  Sterimol/B3: 3.39825
  Sterimol/B4: 5.0941  Sterimol/L: 19.9402 
 
 Surface and Volume Properties
  Accessible surface: 598.053  Positive charged surface: 291.507  Negative charged surface: 295.063  Volume: 310.25
  Hydrophobic surface: 512.061  Hydrophilic surface: 85.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.